Information card for entry 4333179

Structure parameters

• Formula: C26 H40 Cl3 N Nb P2
• Calculated formula: C26 H40 Cl3 N Nb P2
• SMILES: c12c(N3[Nb]([P]1(C(C)C)C(C)C)(Cl)(Cl)([P](c1cc(C)ccc31)(C(C)C)C(C)C)Cl)ccc(c2)C
• Title of publication: Activation of Atmospheric Nitrogen and Azobenzene NN Bond Cleavage by a Transient Nb(III) Complex
• Authors of publication: Kilgore, Uriah J.; Yang, Xiaofan; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10712 - 10721
• a: 11.6392 ± 0.0013 Å
• b: 9.6729 ± 0.0011 Å
• c: 13.1255 ± 0.0014 Å
• α: 90°
• β: 97.165 ± 0.003°
• γ: 90°
• Cell volume: 1466.2 ± 0.3 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No